N-cyclopropyl-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C9H11N5 — CID 53016919

IUPACN-cyclopropyl-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1nnc2ccc(NC3CC3)nn12
InChIInChI=1S/C9H11N5/c1-6-11-12-9-5-4-8(13-14(6)9)10-7-2-3-7/h4-5,7H,2-3H2,1H3,(H,10,13)
InChIKeyMZXYEUNOPDFNJB-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.01
Rot. Bonds2

About N-cyclopropyl-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-cyclopropyl-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 53016919) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is N-cyclopropyl-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-cyclopropyl-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID53016919
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC NameN-cyclopropyl-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1nnc2ccc(NC3CC3)nn12
InChIInChI=1S/C9H11N5/c1-6-11-12-9-5-4-8(13-14(6)9)10-7-2-3-7/h4-5,7H,2-3H2,1H3,(H,10,13)
InChIKeyMZXYEUNOPDFNJB-UHFFFAOYSA-N
XLogP1.01
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-cyclopropyl-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 53016919) is N-cyclopropyl-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-cyclopropyl-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-cyclopropyl-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is Cc1nnc2ccc(NC3CC3)nn12.
What is the InChIKey of N-cyclopropyl-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is MZXYEUNOPDFNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-6-11-12-9-5-4-8(13-14(6)9)10-7-2-3-7/h4-5,7H,2-3H2,1H3,(H,10,13).
What are the key properties of N-cyclopropyl-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-cyclopropyl-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 189.22 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 53016919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).